1-(1,2-thiazol-3-yl)butan-1-amine

C7H12N2S — CID 82416061

IUPAC1-(1,2-thiazol-3-yl)butan-1-amine
SMILESCCCC(N)c1ccsn1
InChIInChI=1S/C7H12N2S/c1-2-3-6(8)7-4-5-10-9-7/h4-6H,2-3,8H2,1H3
InChIKeyXORHCGLHAYJUIS-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.94
Rot. Bonds3

About 1-(1,2-thiazol-3-yl)butan-1-amine

1-(1,2-thiazol-3-yl)butan-1-amine (PubChem CID 82416061) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-(1,2-thiazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1,2-thiazol-3-yl)butan-1-amine
PubChem CID82416061
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-(1,2-thiazol-3-yl)butan-1-amine
SMILESCCCC(N)c1ccsn1
InChIInChI=1S/C7H12N2S/c1-2-3-6(8)7-4-5-10-9-7/h4-6H,2-3,8H2,1H3
InChIKeyXORHCGLHAYJUIS-UHFFFAOYSA-N
XLogP1.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-3-yl)butan-1-amine?
The IUPAC name of 1-(1,2-thiazol-3-yl)butan-1-amine (CID 82416061) is 1-(1,2-thiazol-3-yl)butan-1-amine.
What is the SMILES notation for 1-(1,2-thiazol-3-yl)butan-1-amine?
The canonical SMILES for 1-(1,2-thiazol-3-yl)butan-1-amine is CCCC(N)c1ccsn1.
What is the InChIKey of 1-(1,2-thiazol-3-yl)butan-1-amine?
The InChIKey is XORHCGLHAYJUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-2-3-6(8)7-4-5-10-9-7/h4-6H,2-3,8H2,1H3.
What are the key properties of 1-(1,2-thiazol-3-yl)butan-1-amine?
1-(1,2-thiazol-3-yl)butan-1-amine has a molecular weight of 156.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-3-yl)butan-1-amine is sourced from PubChem (CID 82416061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).